General Information of the Compound
| Compound ID |
CP0165068
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| Compound Name |
2-[3-[4-amino-6-[[1-(1-cyclopropylethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one
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| Structure |
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| Formula |
C30H29FN8O2
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| Molecular Weight |
552.614
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| Canonical SMILES |
CC(C1CC1)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
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| InChI |
InChI=1S/C30H29FN8O2/c1-16(17-5-6-17)39-14-21(13-33-39)34-30-36-27(35-29(32)37-30)22-3-2-4-25(23(22)15-40)38-10-9-19-11-20(18-7-8-18)12-24(31)26(19)28(38)41/h2-4,9-14,16-18,40H,5-8,15H2,1H3,(H3,32,34,35,36,37)
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| InChIKey |
WSOQWKRFBWBAMY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound